#
data_comp_list
loop_
_chem_comp.id
_chem_comp.three_letter_code
_chem_comp.name
_chem_comp.group
_chem_comp.number_atoms_all
_chem_comp.number_atoms_nh
_chem_comp.desc_level
T3       T3  '3,5,3"TRIIODOTHYRONINE              ' non-polymer        35  23 M
#
data_comp_T3
#
loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.type_energy
_chem_comp_atom.partial_charge
 T3            C1     C    .         0.000
 T3            C2     C    .         0.000
 T3            C3     C    .         0.000
 T3            C4     C    .         0.000
 T3            C5     C    .         0.000
 T3            C6     C    .         0.000
 T3            C7     C    .         0.000
 T3            C8     C    .         0.000
 T3            C9     C    .         0.000
 T3            C10    C    .         0.000
 T3            C11    C    .         0.000
 T3            C12    C    .         0.000
 T3            C13    C    .         0.000
 T3            C15    C    .         0.000
 T3            C17    C    .         0.000
 T3            I1     I    .         0.000
 T3            I2     I    .         0.000
 T3            I3     I    .         0.000
 T3            N1     N    .         0.000
 T3            O1     O    .         0.000
 T3            O2     O    .         0.000
 T3            O3     O    .         0.000
 T3            O4     O    .         0.000
 T3            HO3    H    .         0.000
 T3            HN11   H    .         0.000
 T3            HN12   H    .         0.000
 T3            HC15   H    .         0.000
 T3            C131   H    .         0.000
 T3            C132   H    .         0.000
 T3            HC3    H    .         0.000
 T3            HC11   H    .         0.000
 T3            HC12   H    .         0.000
 T3            HC10   H    .         0.000
 T3            HC4    H    .         0.000
 T3            HO1    H    .         0.000
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.type
 T3         C1     C3        double
 T3         C1     C11       single
 T3         C1     C13       single
 T3         C2     C4        double
 T3         C2     C12       single
 T3         C2     O2        single
 T3         C3     C5        single
 T3         C3     HC3       single
 T3         C4     C6        single
 T3         C4     HC4       single
 T3         C5     C7        double
 T3         C5     I1        single
 T3         C6     C8        double
 T3         C6     I2        single
 T3         C7     C9        single
 T3         C7     O2        single
 T3         C8     C10       single
 T3         C8     O1        single
 T3         C9     C11       double
 T3         C9     I3        single
 T3         C10    C12       double
 T3         C10    HC10      single
 T3         C11    HC11      single
 T3         C12    HC12      single
 T3         C13    C15       single
 T3         C13    C131      single
 T3         C13    C132      single
 T3         C15    C17       single
 T3         C15    N1        single
 T3         C15    HC15      single
 T3         C17    O3        single
 T3         C17    O4        double
 T3         N1     HN11      single
 T3         N1     HN12      single
 T3         O1     HO1       single
 T3         O3     HO3       single